SCHEMBL21177321

SCHEMBL21177321

NC(=O)c1cnc(C(F)F)o1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
CES1 P23141 1/20 0.36
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL279723 0.81 FAAH (0.48) FAAHCES1ADORA3TSHRMC4R
SCHEMBL1704958 0.71
Hydrochloric Acid SCHEMBL29156127 0.69 FAAH (0.49) FAAHCES1ADORA3TSHRMC4R
SCHEMBL758594 0.69
SCHEMBL15123017 0.69
SCHEMBL29757846 0.69 KMT2A (0.41) FAAHCES1ADORA3TSHRMC4R
SCHEMBL21177772 0.69 FAAH (0.39) FAAHCES1ADORA3TSHRMC4R
SCHEMBL21177286 0.67 NOTUM (0.42) FAAHCES1ADORA3TSHRMC4R
SCHEMBL31453785 0.66 PIK3CA (0.40) FAAHCES1KMT2A
SCHEMBL24714108 0.65 PIK3CG (0.38) FAAHCES1ADORA3TSHRMC4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO claimed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed